ethyl 1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate

C10H17F3N2O2 — CID 62976416

IUPACethyl 1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CCN(C)C1
InChIInChI=1S/C10H17F3N2O2/c1-3-17-8(16)9(4-5-15(2)7-9)14-6-10(11,12)13/h14H,3-7H2,1-2H3
InChIKeyALHLZBMLFNLTRV-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.78
Rot. Bonds4

About ethyl 1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate

ethyl 1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate (PubChem CID 62976416) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is ethyl 1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate
PubChem CID62976416
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Nameethyl 1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CCN(C)C1
InChIInChI=1S/C10H17F3N2O2/c1-3-17-8(16)9(4-5-15(2)7-9)14-6-10(11,12)13/h14H,3-7H2,1-2H3
InChIKeyALHLZBMLFNLTRV-UHFFFAOYSA-N
XLogP0.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate (CID 62976416) is ethyl 1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate is CCOC(=O)C1(NCC(F)(F)F)CCN(C)C1.
What is the InChIKey of ethyl 1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate?
The InChIKey is ALHLZBMLFNLTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-3-17-8(16)9(4-5-15(2)7-9)14-6-10(11,12)13/h14H,3-7H2,1-2H3.
What are the key properties of ethyl 1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate?
ethyl 1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate has a molecular weight of 254.25 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate is sourced from PubChem (CID 62976416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).